mdakit-sasa๏ƒ

๐Ÿ–‹๏ธ Authors: mdakit-sasa authors
๐Ÿ  Project home: https://github.com/pegerto/mdakit_sasa/
๐Ÿ“– Documentation: https://mdakit-sasa.readthedocs.io/
โš–๏ธ License: GPL-2.0-or-later
๐Ÿ”‘ Keywords: SASA, FreeSASA, ShrakeRupley, LeeRichards
๐Ÿš€ Development status: Production/Stable
๐Ÿ“œ Changelog: https://github.com/pegerto/mdakit_sasa/blob/main/CHANGELOG.md
๐Ÿ“‘ Publications:
* https://zenodo.org/doi/10.5281/zenodo.10182425
* https://f1000research.com/articles/5-189/v1
๐Ÿงช Tests (latest): mdakit-sasa develop CI status
๐Ÿงช Tests (develop): mdakit-sasa develop CI status
Description:
This MDAKit allows for the computation of Solvent Accessible Surface Area (SASA) through MDAnalysis, leveraging the essential role of FreeSASA in performing the calculation.

Installation instructions๏ƒ

The latest version of mdakit-sasa can be installed using the following:

pip install mdakit-sasa

The source code of mdakit-sasa can be installed using the following:

pip install git+https://github.com/pegerto/mdakit_sasa@main